ChemSpider 2D Image | 4-[(4-{[4-(Diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)amino]-4-oxobutanoic acid | C27H29N3O5S

4-[(4-{[4-(Diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID4127747

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(4-{[4-(Diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(4-{[4-(Diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(4-{[4-(diphénylméthyl)-1-pipérazinyl]sulfonyl}phényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]amino]-4-oxo- [ACD/Index Name]
3-({4-[4-(DIPHENYLMETHYL)PIPERAZIN-1-YLSULFONYL]PHENYL}CARBAMOYL)PROPANOIC ACID
3-[(4-{[4-(DIPHENYLMETHYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)CARBAMOYL]PROPANOIC ACID
3-[N-(4-{[4-(diphenylmethyl)piperazinyl]sulfonyl}phenyl)carbamoyl]propanoic acid
4-[(4-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}phenyl)amino]-4-oxobutanoic acid
4-[4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylanilino]-4-oxobutanoate
4-{4-[(4-benzhydryl-1-piperazinyl)sulfonyl]anilino}-4-oxobutanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.648
    Molar Refractivity: 137.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 17.24
    ACD/KOC (pH 5.5): 139.10
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.45
    Polar Surface Area: 115 Å2
    Polarizability: 54.6±0.5 10-24cm3
    Surface Tension: 62.9±3.0 dyne/cm
    Molar Volume: 378.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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